| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: NACID_D_2(2PJR) / Model_31(2PJR/G) = [3.9]
| Download | - | - | MGFEKSILDNLNGAQKIAACHIQGPLLILAGAGSGKTKTLTSRLAYLIGACGVPSENTLTLTFTNKASKEMQERALKLLKNQALIPPLLCTFHRFGLLFLRQHMNLLKRACDFSVLDSDEVKTLCKQLKISNFRASISQIKNGMMDLSVQDSECYKAYELYQNALKKDNLVDFDDLLCLSLKILQDNEKLAKETSERYHYIMVDEYQDTNALQLEFLKQLSFTHHNLCVVGDDDQSIYGFRGADISNILNFSKHFKGAKIVKLETNYRSSAEILACANSLISHNQHRHIKTLQSFKGSHKSVICKEYPTQKEESLDVAYQIKALLKKGENLENIAILYRLNGLSRSIEESLNALNIPYRLIGAVSFYERAEVKDALALMHVVAKKDDRFFIKRVLNKPPRGLGKITQEWIFSLLDEEGLNLEEALKIGAFKDKLNPKNEYALKKFTAMIGRLREAFEISVEKFCERFLEETNLLKSYEKEDNYEEREGFVKELLSLVKEHFKTNPTHSLLDFLNESALDVHNTENAQKVSCMSVHMSKGLEFKHVFVIGLEEGFFPHRGFNQESDLEEERRLAYVAITRAKEELQLSYVKERSYFGRKISCSPSVFLEEAQLLQQDKPPKQNHQKDTPIKVGDLIKHKIFGTGRVLGVEKGLSGLCLKINCGGNVYDKISEKFVEKVDNEF |
| Complex: NACID_C_1(2PJR) / Model_32(2PJR/B) = [4.3]
| Download | - | - | MGFEKSILDNLNGAQKIAACHIQGPLLILAGAGSGKTKTLTSRLAYLIGACGVPSENTLTLTFTNKASKEMQERALKLLKNQALIPPLLCTFHRFGLLFLRQHMNLLKRACDFSVLDSDEVKTLCKQLKISNFRASISQIKNGMMDLSVQDSECYKAYELYQNALKKDNLVDFDDLLCLSLKILQDNEKLAKETSERYHYIMVDEYQDTNALQLEFLKQLSFTHHNLCVVGDDDQSIYGFRGADISNILNFSKHFKGAKIVKLETNYRSSAEILACANSLISHNQHRHIKTLQSFKGSHKSVICKEYPTQKEESLDVAYQIKALLKKGENLENIAILYRLNGLSRSIEESLNALNIPYRLIGAVSFYERAEVKDALALMHVVAKKDDRFFIKRVLNKPPRGLGKITQEWIFSLLDEEGLNLEEALKIGAFKDKLNPKNEYALKKFTAMIGRLREAFEISVEKFCERFLEETNLLKSYEKEDNYEEREGFVKELLSLVKEHFKTNPTHSLLDFLNESALDVHNTENAQKVSCMSVHMSKGLEFKHVFVIGLEEGFFPHRGFNQESDLEEERRLAYVAITRAKEELQLSYVKERSYFGRKISCSPSVFLEEAQLLQQDKPPKQNHQKDTPIKVGDLIKHKIFGTGRVLGVEKGLSGLCLKINCGGNVYDKISEKFVEKVDNEF |
| Complex: NACID_C_1(2IS1) / Model_3(2IS1/A) = [5.2]
| Download | - | - | MGFEKSILDNLNGAQKIAACHIQGPLLILAGAGSGKTKTLTSRLAYLIGACGVPSENTLTLTFTNKASKEMQERALKLLKNQALIPPLLCTFHRFGLLFLRQHMNLLKRACDFSVLDSDEVKTLCKQLKISNFRASISQIKNGMMDLSVQDSECYKAYELYQNALKKDNLVDFDDLLCLSLKILQDNEKLAKETSERYHYIMVDEYQDTNALQLEFLKQLSFTHHNLCVVGDDDQSIYGFRGADISNILNFSKHFKGAKIVKLETNYRSSAEILACANSLISHNQHRHIKTLQSFKGSHKSVICKEYPTQKEESLDVAYQIKALLKKGENLENIAILYRLNGLSRSIEESLNALNIPYRLIGAVSFYERAEVKDALALMHVVAKKDDRFFIKRVLNKPPRGLGKITQEWIFSLLDEEGLNLEEALKIGAFKDKLNPKNEYALKKFTAMIGRLREAFEISVEKFCERFLEETNLLKSYEKEDNYEEREGFVKELLSLVKEHFKTNPTHSLLDFLNESALDVHNTENAQKVSCMSVHMSKGLEFKHVFVIGLEEGFFPHRGFNQESDLEEERRLAYVAITRAKEELQLSYVKERSYFGRKISCSPSVFLEEAQLLQQDKPPKQNHQKDTPIKVGDLIKHKIFGTGRVLGVEKGLSGLCLKINCGGNVYDKISEKFVEKVDNEF |
| Complex: NACID_E_3(2IS1) / Model_21(2IS1/B) = [6.3]
| Download | - | - | MGFEKSILDNLNGAQKIAACHIQGPLLILAGAGSGKTKTLTSRLAYLIGACGVPSENTLTLTFTNKASKEMQERALKLLKNQALIPPLLCTFHRFGLLFLRQHMNLLKRACDFSVLDSDEVKTLCKQLKISNFRASISQIKNGMMDLSVQDSECYKAYELYQNALKKDNLVDFDDLLCLSLKILQDNEKLAKETSERYHYIMVDEYQDTNALQLEFLKQLSFTHHNLCVVGDDDQSIYGFRGADISNILNFSKHFKGAKIVKLETNYRSSAEILACANSLISHNQHRHIKTLQSFKGSHKSVICKEYPTQKEESLDVAYQIKALLKKGENLENIAILYRLNGLSRSIEESLNALNIPYRLIGAVSFYERAEVKDALALMHVVAKKDDRFFIKRVLNKPPRGLGKITQEWIFSLLDEEGLNLEEALKIGAFKDKLNPKNEYALKKFTAMIGRLREAFEISVEKFCERFLEETNLLKSYEKEDNYEEREGFVKELLSLVKEHFKTNPTHSLLDFLNESALDVHNTENAQKVSCMSVHMSKGLEFKHVFVIGLEEGFFPHRGFNQESDLEEERRLAYVAITRAKEELQLSYVKERSYFGRKISCSPSVFLEEAQLLQQDKPPKQNHQKDTPIKVGDLIKHKIFGTGRVLGVEKGLSGLCLKINCGGNVYDKISEKFVEKVDNEF |
| Complex: NACID_Y_1(3PJR) / Model_1(3PJR/A) = [6.3]
| Download | - | - | MGFEKSILDNLNGAQKIAACHIQGPLLILAGAGSGKTKTLTSRLAYLIGACGVPSENTLTLTFTNKASKEMQERALKLLKNQALIPPLLCTFHRFGLLFLRQHMNLLKRACDFSVLDSDEVKTLCKQLKISNFRASISQIKNGMMDLSVQDSECYKAYELYQNALKKDNLVDFDDLLCLSLKILQDNEKLAKETSERYHYIMVDEYQDTNALQLEFLKQLSFTHHNLCVVGDDDQSIYGFRGADISNILNFSKHFKGAKIVKLETNYRSSAEILACANSLISHNQHRHIKTLQSFKGSHKSVICKEYPTQKEESLDVAYQIKALLKKGENLENIAILYRLNGLSRSIEESLNALNIPYRLIGAVSFYERAEVKDALALMHVVAKKDDRFFIKRVLNKPPRGLGKITQEWIFSLLDEEGLNLEEALKIGAFKDKLNPKNEYALKKFTAMIGRLREAFEISVEKFCERFLEETNLLKSYEKEDNYEEREGFVKELLSLVKEHFKTNPTHSLLDFLNESALDVHNTENAQKVSCMSVHMSKGLEFKHVFVIGLEEGFFPHRGFNQESDLEEERRLAYVAITRAKEELQLSYVKERSYFGRKISCSPSVFLEEAQLLQQDKPPKQNHQKDTPIKVGDLIKHKIFGTGRVLGVEKGLSGLCLKINCGGNVYDKISEKFVEKVDNEF |
Consensus
[pKd Mean = 5.20] | - | 0
(s=0) | 0
(s=0) | MGFEKSILDNLNGAQKIAACHIQGPLLILAGAGSGKTKTLTSRLAYLIGACGVPSENTLTLTFTNKASKEMQERALKLLKNQALIPPLLCTFHRFGLLFLRQHMNLLKRACDFSVLDSDEVKTLCKQLKISNFRASISQIKNGMMDLSVQDSECYKAYELYQNALKKDNLVDFDDLLCLSLKILQDNEKLAKETSERYHYIMVDEYQDTNALQLEFLKQLSFTHHNLCVVGDDDQSIYGFRGADISNILNFSKHFKGAKIVKLETNYRSSAEILACANSLISHNQHRHIKTLQSFKGSHKSVICKEYPTQKEESLDVAYQIKALLKKGENLENIAILYRLNGLSRSIEESLNALNIPYRLIGAVSFYERAEVKDALALMHVVAKKDDRFFIKRVLNKPPRGLGKITQEWIFSLLDEEGLNLEEALKIGAFKDKLNPKNEYALKKFTAMIGRLREAFEISVEKFCERFLEETNLLKSYEKEDNYEEREGFVKELLSLVKEHFKTNPTHSLLDFLNESALDVHNTENAQKVSCMSVHMSKGLEFKHVFVIGLEEGFFPHRGFNQESDLEEERRLAYVAITRAKEELQLSYVKERSYFGRKISCSPSVFLEEAQLLQQDKPPKQNHQKDTPIKVGDLIKHKIFGTGRVLGVEKGLSGLCLKINCGGNVYDKISEKFVEKVDNEF |